SCHEMBL4779522

SCHEMBL4779522

N#Cc1ccc2ccc(=O)n(CCN3CC[CH]CC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 3/20 0.58
KCNH2 Q12809 10/20 0.56
SCN5A Q14524 1/20 0.55
SCN2A Q99250 1/20 0.55
SCN8A Q9UQD0 1/20 0.55
KCNJ1 P48048 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL708277 0.84 KCNH2 (0.59) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL4789884 0.81 KCNH2 (0.66) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL921237 0.79 KCNH2 (0.63) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL5132151 0.78 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL27759451 0.78 KCNH2 (0.47) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3843877 0.78 KCNH2 (0.47) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL706182 0.78 KCNH2 (0.55) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3353649 0.76 KCNH2 (0.51) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3351436 0.76 KCNH2 (0.51) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3355824 0.76 KCNH2 (0.57) SCN7AKCNH2SCN5ASCN2ASCN8A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111757879-A Heterocyclic compounds useful as antibacterial agents 卡地拉健康护理有限公司 2020-10-09 CN disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed